Tetronic acid
TL;DR: Tetronic acid (CAS 541-57-1) is a chemical compound with molecular formula C4H4O3 and molecular weight 100.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolane-2,4-dione
Also Known As: Tetronic acid, Furan-2,4(3H,5H)-Dione, oxolane-2,4-dione, 2,4(3H,5H)-Furandione, Tetrahydrofuran-2,4-dione
| Molecular Formula | C4H4O3 |
|---|---|
| Molecular Weight | 100.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.016045 |
| Heavy Atoms | 7 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 541-57-1 |
|---|---|
| SMILES | C1C(=O)COC1=O |
| InChIKey | JCGNDDUYTRNOFT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetronic acid (CAS 541-57-1), with molecular formula C4H4O3 and molecular weight 100.02 g/mol. IUPAC: oxolane-2,4-dione.
Chemical Property Profile of Tetronic acid
Property Insights of Tetronic acid
The XLogP value of -0.1 indicates that Tetronic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, Tetronic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetronic acid has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetronic acid?
The CAS number of Tetronic acid is 541-57-1.
What is the molecular formula of Tetronic acid?
The molecular formula of Tetronic acid is C4H4O3.
What is the molecular weight of Tetronic acid?
The molecular weight of Tetronic acid is 100.02 g/mol.
Where can I buy Tetronic acid?
You can request a quote for Tetronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetronic acid?
Yes, KEHONG BIO provides custom synthesis services for Tetronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.